2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine

C12H16N4 — CID 62723069

IUPAC2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(CN)c1nc(-c2ccccc2)nn1C
InChIInChI=1S/C12H16N4/c1-9(8-13)12-14-11(15-16(12)2)10-6-4-3-5-7-10/h3-7,9H,8,13H2,1-2H3
InChIKeyMQUXRPKOGKJEKO-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.54
Rot. Bonds3

About 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine

2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 62723069) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID62723069
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCC(CN)c1nc(-c2ccccc2)nn1C
InChIInChI=1S/C12H16N4/c1-9(8-13)12-14-11(15-16(12)2)10-6-4-3-5-7-10/h3-7,9H,8,13H2,1-2H3
InChIKeyMQUXRPKOGKJEKO-UHFFFAOYSA-N
XLogP1.54
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine (CID 62723069) is 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine is CC(CN)c1nc(-c2ccccc2)nn1C.
What is the InChIKey of 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is MQUXRPKOGKJEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9(8-13)12-14-11(15-16(12)2)10-6-4-3-5-7-10/h3-7,9H,8,13H2,1-2H3.
What are the key properties of 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine?
2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 62723069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).